SCHEMBL20320522

SCHEMBL20320522

Cc1cc(C(C)(C)CCl)on1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 1/20 0.37
HCAR2 Q8TDS4 1/20 0.34
CNR2 P34972 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.32
RORC P51449 1/20 0.32
VHL P40337 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14530597 0.82 POLB (0.36) ALDH1A1SMN1; SMN2EGFRHCAR2CNR2
SCHEMBL20320536 0.80 HCAR2 (0.38) ALDH1A1SMN1; SMN2EGFRHCAR2CNR2
SCHEMBL20320538 0.78 POLB (0.38) ALDH1A1SMN1; SMN2HCAR2MEN1KMT2A
SCHEMBL18483392 0.77 HCAR2 (0.32) ALDH1A1SMN1; SMN2HCAR2MEN1KMT2A
SCHEMBL14724231 0.77 MEN1 (0.34) ALDH1A1SMN1; SMN2HCAR2CNR2MEN1
SCHEMBL20320520 0.77 HCAR2 (0.38) ALDH1A1SMN1; SMN2EGFRHCAR2CNR2
SCHEMBL171117 0.76 KMT2A (0.48) ALDH1A1SMN1; SMN2EGFRHCAR2MEN1
SCHEMBL20320322 0.76 HCAR2 (0.32) ALDH1A1HCAR2MEN1KMT2A
SCHEMBL20320629 0.76 MAPT (0.33) HCAR2MEN1KMT2A
SCHEMBL20320523 0.73 POLB (0.36) ALDH1A1SMN1; SMN2EGFRHCAR2CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS ALDH1A1 201/4885SMN1; SMN2 4626/4885EGFR 1682/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.